6-methyl-2-phenyl-5-prop-2-enyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine

C20H19N5 — CID 3097719

IUPAC6-methyl-2-phenyl-5-prop-2-enyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine
SMILESC=CCc1c(C)nc(-c2ccccc2)nc1NN=Cc1ccncc1
InChIInChI=1S/C20H19N5/c1-3-7-18-15(2)23-19(17-8-5-4-6-9-17)24-20(18)25-22-14-16-10-12-21-13-11-16/h3-6,8-14H,1,7H2,2H3,(H,23,24,25)
InChIKeyJJRKCJKZOGFYPI-UHFFFAOYSA-N
MW329.41 g/mol
LogP4.02
Rot. Bonds6

About 6-methyl-2-phenyl-5-prop-2-enyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine

6-methyl-2-phenyl-5-prop-2-enyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine (PubChem CID 3097719) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 6-methyl-2-phenyl-5-prop-2-enyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-phenyl-5-prop-2-enyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine
PubChem CID3097719
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name6-methyl-2-phenyl-5-prop-2-enyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine
SMILESC=CCc1c(C)nc(-c2ccccc2)nc1NN=Cc1ccncc1
InChIInChI=1S/C20H19N5/c1-3-7-18-15(2)23-19(17-8-5-4-6-9-17)24-20(18)25-22-14-16-10-12-21-13-11-16/h3-6,8-14H,1,7H2,2H3,(H,23,24,25)
InChIKeyJJRKCJKZOGFYPI-UHFFFAOYSA-N
XLogP4.02
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenyl-5-prop-2-enyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-phenyl-5-prop-2-enyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine (CID 3097719) is 6-methyl-2-phenyl-5-prop-2-enyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-phenyl-5-prop-2-enyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-phenyl-5-prop-2-enyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine is C=CCc1c(C)nc(-c2ccccc2)nc1NN=Cc1ccncc1.
What is the InChIKey of 6-methyl-2-phenyl-5-prop-2-enyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine?
The InChIKey is JJRKCJKZOGFYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-3-7-18-15(2)23-19(17-8-5-4-6-9-17)24-20(18)25-22-14-16-10-12-21-13-11-16/h3-6,8-14H,1,7H2,2H3,(H,23,24,25).
What are the key properties of 6-methyl-2-phenyl-5-prop-2-enyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine?
6-methyl-2-phenyl-5-prop-2-enyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine has a molecular weight of 329.41 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenyl-5-prop-2-enyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine is sourced from PubChem (CID 3097719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).